Home Halogens 4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxylic acid

4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxylic acid

CAS No.:
1096815-75-6
Catalog Number:
AG019WCO
Molecular Formula:
C9H6ClNO2S
Molecular Weight:
227.6674
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019WCO
Chemical Name:
4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxylic acid
CAS Number:
1096815-75-6
Molecular Formula:
C9H6ClNO2S
Molecular Weight:
227.6674
MDL Number:
MFCD11641427
IUPAC Name:
4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C9H6ClNO2S/c10-8-2-1-7(14-8)5-3-11-4-6(5)9(12)13/h1-4,11H,(H,12,13)
InChI Key:
DSHDVBHHAGCNAE-UHFFFAOYSA-N
SMILES:
Clc1ccc(s1)c1c[nH]cc1C(=O)O
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.981g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.662g/mol
Monoisotopic Mass:
226.981g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties